5-(3-fluorophenyl)-N-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethyl]-1,2,4-oxadiazole-3-carboxamide

C17H19FN4O3 — CID 167909684

IUPAC5-(3-fluorophenyl)-N-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethyl]-1,2,4-oxadiazole-3-carboxamide
SMILESO=C(NCCN1CC2CCC(C1)O2)c1noc(-c2cccc(F)c2)n1
InChIInChI=1S/C17H19FN4O3/c18-12-3-1-2-11(8-12)17-20-15(21-25-17)16(23)19-6-7-22-9-13-4-5-14(10-22)24-13/h1-3,8,13-14H,4-7,9-10H2,(H,19,23)
InChIKeyFPXZYHULHUUBGO-UHFFFAOYSA-N
MW346.36 g/mol
LogP1.47
Rot. Bonds5

About 5-(3-fluorophenyl)-N-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethyl]-1,2,4-oxadiazole-3-carboxamide

5-(3-fluorophenyl)-N-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethyl]-1,2,4-oxadiazole-3-carboxamide (PubChem CID 167909684) has the molecular formula C17H19FN4O3 and a molecular weight of 346.36 g/mol. Its IUPAC name is 5-(3-fluorophenyl)-N-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethyl]-1,2,4-oxadiazole-3-carboxamide.

Molecular Properties

Compound Name5-(3-fluorophenyl)-N-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethyl]-1,2,4-oxadiazole-3-carboxamide
PubChem CID167909684
Molecular FormulaC17H19FN4O3
Molecular Weight346.36 g/mol
Exact Mass346.14
IUPAC Name5-(3-fluorophenyl)-N-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethyl]-1,2,4-oxadiazole-3-carboxamide
SMILESO=C(NCCN1CC2CCC(C1)O2)c1noc(-c2cccc(F)c2)n1
InChIInChI=1S/C17H19FN4O3/c18-12-3-1-2-11(8-12)17-20-15(21-25-17)16(23)19-6-7-22-9-13-4-5-14(10-22)24-13/h1-3,8,13-14H,4-7,9-10H2,(H,19,23)
InChIKeyFPXZYHULHUUBGO-UHFFFAOYSA-N
XLogP1.47
TPSA80.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.36
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(3-fluorophenyl)-N-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethyl]-1,2,4-oxadiazole-3-carboxamide?
The IUPAC name of 5-(3-fluorophenyl)-N-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethyl]-1,2,4-oxadiazole-3-carboxamide (CID 167909684) is 5-(3-fluorophenyl)-N-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethyl]-1,2,4-oxadiazole-3-carboxamide.
What is the SMILES notation for 5-(3-fluorophenyl)-N-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethyl]-1,2,4-oxadiazole-3-carboxamide?
The canonical SMILES for 5-(3-fluorophenyl)-N-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethyl]-1,2,4-oxadiazole-3-carboxamide is O=C(NCCN1CC2CCC(C1)O2)c1noc(-c2cccc(F)c2)n1.
What is the InChIKey of 5-(3-fluorophenyl)-N-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethyl]-1,2,4-oxadiazole-3-carboxamide?
The InChIKey is FPXZYHULHUUBGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN4O3/c18-12-3-1-2-11(8-12)17-20-15(21-25-17)16(23)19-6-7-22-9-13-4-5-14(10-22)24-13/h1-3,8,13-14H,4-7,9-10H2,(H,19,23).
What are the key properties of 5-(3-fluorophenyl)-N-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethyl]-1,2,4-oxadiazole-3-carboxamide?
5-(3-fluorophenyl)-N-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethyl]-1,2,4-oxadiazole-3-carboxamide has a molecular weight of 346.36 g/mol, XLogP of 1.47, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-fluorophenyl)-N-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethyl]-1,2,4-oxadiazole-3-carboxamide is sourced from PubChem (CID 167909684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).